N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine

C30H42FN — CID 146248093

About N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine

N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine (PubChem CID 146248093) has the molecular formula C30H42FN and a molecular weight of 435.67 g/mol. Its IUPAC name is N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine
• PubChem CID: 146248093
• Molecular Formula: C30H42FN
• Molecular Weight: 435.67 g/mol
• Exact Mass: 435.33
• IUPAC Name: N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine
• SMILES: C=C1C=C(C2CCCC3(CCCC3)C2)C=C2CCC3(C=C(F)C(CNCCC)=C3)CC12C
• InChI: InChI=1S/C30H42FN/c1-4-14-32-20-25-18-30(19-27(25)31)13-9-26-16-24(15-22(2)28(26,3)21-30)23-8-7-12-29(17-23)10-5-6-11-29/h15-16,18-19,23,32H,2,4-14,17,20-21H2,1,3H3
• InChIKey: CMLLBOGJBYCIEO-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.67
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine?

The IUPAC name of N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine (CID 146248093) is N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine.

What is the SMILES notation for N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine?

The canonical SMILES for N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine is C=C1C=C(C2CCCC3(CCCC3)C2)C=C2CCC3(C=C(F)C(CNCCC)=C3)CC12C.

What is the InChIKey of N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine?

The InChIKey is CMLLBOGJBYCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FN/c1-4-14-32-20-25-18-30(19-27(25)31)13-9-26-16-24(15-22(2)28(26,3)21-30)23-8-7-12-29(17-23)10-5-6-11-29/h15-16,18-19,23,32H,2,4-14,17,20-21H2,1,3H3.

What are the key properties of N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine?

N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine has a molecular weight of 435.67 g/mol, XLogP of 8.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5'-fluoro-4a-methyl-5-methylidene-7-spiro[4.5]decan-9-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-cyclopenta-1,4-diene]-1'-yl)methyl]propan-1-amine is sourced from PubChem (CID 146248093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).